N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide

C20H15ClF3N3O3S — CID 58614787

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H15ClF3N3O3S/c21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h1-11,26H,12H2,(H,27,28)
InChIKeyODCXDXRPWNNCOS-UHFFFAOYSA-N
MW469.87 g/mol
LogP4.49
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide (PubChem CID 58614787) has the molecular formula C20H15ClF3N3O3S and a molecular weight of 469.87 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
PubChem CID58614787
Molecular FormulaC20H15ClF3N3O3S
Molecular Weight469.87 g/mol
Exact Mass469.05
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C20H15ClF3N3O3S/c21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h1-11,26H,12H2,(H,27,28)
InChIKeyODCXDXRPWNNCOS-UHFFFAOYSA-N
XLogP4.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.87
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide (CID 58614787) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide is O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
The InChIKey is ODCXDXRPWNNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3S/c21-17-9-6-14(11-16(17)18-3-1-2-10-25-18)27-19(28)13-4-7-15(8-5-13)31(29,30)26-12-20(22,23)24/h1-11,26H,12H2,(H,27,28).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide has a molecular weight of 469.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide is sourced from PubChem (CID 58614787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).